5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione

C10H11N3O2S — CID 78235617

IUPAC5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione
SMILESNc1ccccc1SC1CNC(=O)NC1=O
InChIInChI=1S/C10H11N3O2S/c11-6-3-1-2-4-7(6)16-8-5-12-10(15)13-9(8)14/h1-4,8H,5,11H2,(H2,12,13,14,15)
InChIKeyKCXLSYOJGASEPE-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.57
Rot. Bonds2

About 5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione

5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione (PubChem CID 78235617) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione
PubChem CID78235617
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione
SMILESNc1ccccc1SC1CNC(=O)NC1=O
InChIInChI=1S/C10H11N3O2S/c11-6-3-1-2-4-7(6)16-8-5-12-10(15)13-9(8)14/h1-4,8H,5,11H2,(H2,12,13,14,15)
InChIKeyKCXLSYOJGASEPE-UHFFFAOYSA-N
XLogP0.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)sulfanyl-1-methylpyrrolidine-2,5-dione
CID 14956141
(3S)-3-(2-aminophenyl)sulfanyl-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 6977488
3-(2-amino-5-methylphenyl)sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313700
5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione
CID 10654245
(3S)-3-(2-aminophenyl)sulfanyl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 98541204
(3R)-3-(2-aminophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)pyrrolidine-2,5-dione
CID 6977579
3-(2-aminophenyl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2731402
(3S)-3-(2-aminophenyl)sulfanyl-1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 6977361
2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)aniline
CID 79906285
2-(2,6-dioxopiperidin-3-yl)sulfanylbenzonitrile
CID 142623514
(3R)-3-(2-aminophenyl)sulfanyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
CID 6977555
2-[(2-aminophenyl)disulfanyl]aniline;hydrochloride
CID 54599340

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione (CID 78235617) is 5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione is Nc1ccccc1SC1CNC(=O)NC1=O.
What is the InChIKey of 5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione?
The InChIKey is KCXLSYOJGASEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c11-6-3-1-2-4-7(6)16-8-5-12-10(15)13-9(8)14/h1-4,8H,5,11H2,(H2,12,13,14,15).
What are the key properties of 5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione?
5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione has a molecular weight of 237.28 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)sulfanyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78235617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).